General Information of the Compound
| Compound ID |
CP0503728
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| Compound Name |
US8653125, Ib-4
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| Formula |
C22H25FN4O3
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| Molecular Weight |
412.465
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| Canonical SMILES |
CC(C)n1c2ccc(NC(=O)[C@@H]3CC[C@@H](CC3)Nc3cccc(F)n3)cc2oc1=O
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| InChI |
InChI=1S/C22H25FN4O3/c1-13(2)27-17-11-10-16(12-18(17)30-22(27)29)25-21(28)14-6-8-15(9-7-14)24-20-5-3-4-19(23)26-20/h3-5,10-15H,6-9H2,1-2H3,(H,24,26)(H,25,28)/t14-,15+
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| InChIKey |
SBXHAOOYZCFMGG-GASCZTMLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound